Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.CCCCCCC(=O)C(=O)NC(CC(O)=O)C[N+](C)(C)C
InChIKey
InChIKey=WAJWMQXABHXNMR-UHFFFAOYSA-N
Formula
C17H29F3N2O6
Mass
414.422
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Beta amino acids and derivatives
Alternative Parents
N-acyl amines Fatty acids and conjugates Tetraalkylammonium salts Alpha-halocarboxylic acids Secondary carboxylic acid amides Ketones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - Fatty acyl - Fatty acid - Fatty amide - N-acyl-amine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Ketone - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available